-
Notifications
You must be signed in to change notification settings - Fork 3
/
setup.json
66 lines (66 loc) · 2 KB
/
setup.json
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
{
"name": "aiida-qp2",
"author": "Evgeny Posenitskiy",
"author_email": "[email protected]",
"description": "AiiDA plugin for the Quantum Package 2.0",
"url": "https://github.com/TREX-CoE/aiida-qp2",
"license": "MIT",
"classifiers": [
"Development Status :: 4 - Beta",
"Programming Language :: Python",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Framework :: AiiDA"
],
"version": "0.3.0",
"entry_points": {
"console_scripts": [
"aqp = aiida_qp2.cli:cli_root"
],
"aiida.cmdline.data": [
"qp2.cli = aiida_qp2.cli:cli_root"
],
"aiida.calculations": [
"qp2 = aiida_qp2.calculations:QP2Calculation",
"qp2.create = aiida_qp2.create.calculation:QP2CreateCalculation",
"qp2.run = aiida_qp2.run.calculation:QP2RunCalculation",
"qp2.qmcchemrun = aiida_qp2.run.qmcchem_calculation:QP2QmcchemRunCalculation"
],
"aiida.parsers": [
"qp2 = aiida_qp2.parsers:QP2Parser",
"qp2.create = aiida_qp2.create.parser:QP2CreateParser",
"qp2.run = aiida_qp2.run.parser:QP2RunParser",
"qp2.qmcchemrun = aiida_qp2.run.qmcchem_parser:QP2QmcchemRunParser"
]
},
"include_package_data": true,
"setup_requires": ["reentry"],
"reentry_register": true,
"install_requires": [
"aiida-core>=2.1.0,<3.0.0",
"ase",
"six",
"psycopg2-binary<2.9",
"voluptuous",
"pymatgen>=3.3.5"
],
"extras_require": {
"testing": [
"pgtest~=1.3.1",
"wheel~=0.31",
"pytest~=6.0",
"pytest-cov",
"pymatgen"
],
"pre-commit": [
"pre-commit~=2.2",
"pylint>=2.5.0,<2.9"
],
"docs": [
"sphinx",
"sphinxcontrib-contentui",
"sphinxcontrib-details-directive; python_version>='3.0'",
"sphinx-rtd-theme"
]
}
}